BDBM50154055 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL::2-(3-Fluoro-4-hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol::2-(3-fluoro-4-hydroxyphenyl)-7-vinylbenzo[d]oxazol-5-ol::CHEMBL450940

SMILES: Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1

InChI Key: InChIKey=MQIMZDXIAHJKQP-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50154055   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Mus musculus)	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (RAT)	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	618	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	746	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Yantai University Curated by ChEMBL					Assay Description Binding affinity to ERbeta (unknown origin)				Eur J Med Chem 43: 43-52 (2008) Article DOI: 10.1016/j.ejmech.2007.03.002 BindingDB Entry DOI: 10.7270/Q2WD40BT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Rattus norvegicus)	BDBM50154055 (2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZO...) Show SMILES Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli				J Med Chem 47: 5021-40 (2004) Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5
					More data for this Ligand-Target Pair				3D Structure (crystal)